6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine

C21H29BrN2O2 — CID 57285663

IUPAC6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
SMILESCC1=C(NOCCCN2CCOCC2)C(=Cc2ccc(Br)cc2)CCC1
InChIInChI=1S/C21H29BrN2O2/c1-17-4-2-5-19(16-18-6-8-20(22)9-7-18)21(17)23-26-13-3-10-24-11-14-25-15-12-24/h6-9,16,23H,2-5,10-15H2,1H3
InChIKeyWZPWVSRHJFSTQC-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.53
Rot. Bonds7

About 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine

6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine (PubChem CID 57285663) has the molecular formula C21H29BrN2O2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine.

Molecular Properties

Compound Name6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
PubChem CID57285663
Molecular FormulaC21H29BrN2O2
Molecular Weight421.38 g/mol
Exact Mass420.14
IUPAC Name6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
SMILESCC1=C(NOCCCN2CCOCC2)C(=Cc2ccc(Br)cc2)CCC1
InChIInChI=1S/C21H29BrN2O2/c1-17-4-2-5-19(16-18-6-8-20(22)9-7-18)21(17)23-26-13-3-10-24-11-14-25-15-12-24/h6-9,16,23H,2-5,10-15H2,1H3
InChIKeyWZPWVSRHJFSTQC-UHFFFAOYSA-N
XLogP4.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5E)-5-[(4-bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
CID 5787351
6-[(4-fluorophenyl)methylidene]-2-methyl-N-(2-morpholin-4-ylethoxy)cyclohexen-1-amine
CID 57246196
4-[5-[(4-Bromophenyl)methylidene]-2-(cyclopenten-1-yl)cyclopenten-1-yl]morpholine
CID 3302078
4-[(5E)-5-[(4-bromophenyl)methylidene]cyclopenten-1-yl]morpholine
CID 5855584
4-(1-(4-Bromophenyl)propan-2-yl)morpholine
CID 21914376
4-[[3-(4-Bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 57017588
6-benzylidene-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine
CID 57303958
4-[1-(4-bromophenyl)-6,7-dihydro-3H-inden-5-yl]morpholine
CID 69700534
4-[(4-Bromophenyl)methylidene]-1-(oxolan-3-yl)piperidine
CID 71271280
(E,2E)-2-[(4-bromophenyl)methylidene]-6-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexan-1-imine
CID 88397225
(E,2E,6R)-2-[(4-bromophenyl)methylidene]-6-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexan-1-imine
CID 88397227
4-[1-(4-Bromocyclohexa-1,2,3,5-tetraen-1-yl)propan-2-yl]morpholine
CID 90378712

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
The IUPAC name of 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine (CID 57285663) is 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine.
What is the SMILES notation for 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
The canonical SMILES for 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine is CC1=C(NOCCCN2CCOCC2)C(=Cc2ccc(Br)cc2)CCC1.
What is the InChIKey of 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
The InChIKey is WZPWVSRHJFSTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2O2/c1-17-4-2-5-19(16-18-6-8-20(22)9-7-18)21(17)23-26-13-3-10-24-11-14-25-15-12-24/h6-9,16,23H,2-5,10-15H2,1H3.
What are the key properties of 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine?
6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine has a molecular weight of 421.38 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methylidene]-2-methyl-N-(3-morpholin-4-ylpropoxy)cyclohexen-1-amine is sourced from PubChem (CID 57285663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).